ChemSpider 2D Image | [1-Hydroxy-2-(1-methyl-1,2-dihydro-3-pyridinyl)-1,1-ethanediyl]bis(phosphonic acid) | C8H15NO7P2

[1-Hydroxy-2-(1-methyl-1,2-dihydro-3-pyridinyl)-1,1-ethanediyl]bis(phosphonic acid)

  • Molecular FormulaC8H15NO7P2
  • Average mass299.155 Da
  • Monoisotopic mass299.032379 Da
  • ChemSpider ID28716197

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[1-Hydroxy-2-(1-methyl-1,2-dihydro-3-pyridinyl)-1,1-ethandiyl]bis(phosphonsäure) [German] [ACD/IUPAC Name]
[1-Hydroxy-2-(1-methyl-1,2-dihydro-3-pyridinyl)-1,1-ethanediyl]bis(phosphonic acid) [ACD/IUPAC Name]
Acide [1-hydroxy-2-(1-méthyl-1,2-dihydro-3-pyridinyl)-1,1-éthanediyl]bis(phosphonique) [French] [ACD/IUPAC Name]
Phosphonic acid, [2-(1,2-dihydro-1-methyl-3-pyridinyl)-1-hydroxyethylidene]bis- [ACD/Index Name]
153692-15-0 [RN]
2-(N-Methyl-3-pyridinyl)-1-hydroxyethylidene bisphosphonic acid
Pyridinium,3-(3-hydroxy-3,3-diphosphonopropyl)-1-methyl-, hydroxide (9CI)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 642.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.6±6.0 kJ/mol
Flash Point: 342.5±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 61.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.24
ACD/LogD (pH 5.5): -6.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 91.4±3.0 dyne/cm
Molar Volume: 175.5±3.0 cm3

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